N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C16H19N5O — CID 75600426

IUPACN-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)(C)NC(=O)c1nn(-c2cnccn2)c2c1CC1CC21
InChIInChI=1S/C16H19N5O/c1-16(2,3)19-15(22)13-11-7-9-6-10(9)14(11)21(20-13)12-8-17-4-5-18-12/h4-5,8-10H,6-7H2,1-3H3,(H,19,22)
InChIKeyQBXHZDXUNZGSFL-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.85
Rot. Bonds2

About N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 75600426) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID75600426
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)(C)NC(=O)c1nn(-c2cnccn2)c2c1CC1CC21
InChIInChI=1S/C16H19N5O/c1-16(2,3)19-15(22)13-11-7-9-6-10(9)14(11)21(20-13)12-8-17-4-5-18-12/h4-5,8-10H,6-7H2,1-3H3,(H,19,22)
InChIKeyQBXHZDXUNZGSFL-UHFFFAOYSA-N
XLogP1.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 75600426) is N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is CC(C)(C)NC(=O)c1nn(-c2cnccn2)c2c1CC1CC21.
What is the InChIKey of N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is QBXHZDXUNZGSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-16(2,3)19-15(22)13-11-7-9-6-10(9)14(11)21(20-13)12-8-17-4-5-18-12/h4-5,8-10H,6-7H2,1-3H3,(H,19,22).
What are the key properties of N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 75600426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).